N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide

C22H27N3O2 — CID 119289038

IUPACN-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc(CNC(=O)C3CCNCC3)c2)cc1
InChIInChI=1S/C22H27N3O2/c1-16-5-7-17(8-6-16)14-24-22(27)20-4-2-3-18(13-20)15-25-21(26)19-9-11-23-12-10-19/h2-8,13,19,23H,9-12,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyIZYQRIRPXQXITC-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.54
Rot. Bonds6

About N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide

N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119289038) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID119289038
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cccc(CNC(=O)C3CCNCC3)c2)cc1
InChIInChI=1S/C22H27N3O2/c1-16-5-7-17(8-6-16)14-24-22(27)20-4-2-3-18(13-20)15-25-21(26)19-9-11-23-12-10-19/h2-8,13,19,23H,9-12,14-15H2,1H3,(H,24,27)(H,25,26)
InChIKeyIZYQRIRPXQXITC-UHFFFAOYSA-N
XLogP2.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668
ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
CID 119302054
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759304

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide (CID 119289038) is N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)c2cccc(CNC(=O)C3CCNCC3)c2)cc1.
What is the InChIKey of N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is IZYQRIRPXQXITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-5-7-17(8-6-16)14-24-22(27)20-4-2-3-18(13-20)15-25-21(26)19-9-11-23-12-10-19/h2-8,13,19,23H,9-12,14-15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide?
N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119289038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).